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PDBsum entry 3fr0

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protein ligands metals links
Transferase PDB id
3fr0
Jmol
Contents
Protein chain
448 a.a. *
Ligands
GLC
AJB
Metals
_NA
Waters ×134
* Residue conservation analysis
PDB id:
3fr0
Name: Transferase
Title: Human glucokinase in complex with 2-amino benzamide activator
Structure: Glucokinase. Chain: a. Fragment: enzyme, unp residues 12-466. Synonym: hexokinase type iv, hk iv, hexokinase-4, hk4, hexokinase-d. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.70Å     R-factor:   0.214     R-free:   0.274
Authors: K.Kamata
Key ref: T.Nishimura et al. (2009). Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators. Bioorg Med Chem Lett, 19, 1357-1360. PubMed id: 19188063
Date:
08-Jan-09     Release date:   17-Feb-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P35557  (HXK4_HUMAN) -  Glucokinase
Seq:
Struc:
465 a.a.
448 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.2.7.1.2  - Glucokinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + D-glucose = ADP + D-glucose 6-phosphate
ATP
+
D-glucose
Bound ligand (Het Group name = GLC)
corresponds exactly
= ADP
+ D-glucose 6-phosphate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cytoplasm   9 terms 
  Biological process     metabolic process   37 terms 
  Biochemical function     catalytic activity     15 terms  

 

 
    reference    
 
 
Bioorg Med Chem Lett 19:1357-1360 (2009)
PubMed id: 19188063  
 
 
Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators.
T.Nishimura, T.Iino, M.Mitsuya, M.Bamba, H.Watanabe, D.Tsukahara, K.Kamata, K.Sasaki, S.Ohyama, H.Hosaka, M.Futamura, Y.Nagata, J.Eiki.
 
  ABSTRACT  
 
The identification and structure-activity-relationships (SARs) of novel 2-amino benzamide glucokinase activators are described. Compounds in this series were developed to be potent GK activators, and their binding mode to the GK protein was determined by crystal structure analysis. In vivo pharmacokinetic and acute in vivo efficacy studies of compound 18 are also described.